(3,4-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine

C11H8Cl2N2O3 — CID 43384511

IUPAC(3,4-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H8Cl2N2O3/c12-7-2-1-6(5-8(7)13)11(14)9-3-4-10(18-9)15(16)17/h1-5,11H,14H2
InChIKeyOOTSYFMLGNXIKQ-UHFFFAOYSA-N
MW287.10 g/mol
LogP3.54
Rot. Bonds3

About (3,4-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine

(3,4-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine (PubChem CID 43384511) has the molecular formula C11H8Cl2N2O3 and a molecular weight of 287.10 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine
PubChem CID43384511
Molecular FormulaC11H8Cl2N2O3
Molecular Weight287.10 g/mol
Exact Mass285.99
IUPAC Name(3,4-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H8Cl2N2O3/c12-7-2-1-6(5-8(7)13)11(14)9-3-4-10(18-9)15(16)17/h1-5,11H,14H2
InChIKeyOOTSYFMLGNXIKQ-UHFFFAOYSA-N
XLogP3.54
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3,4-dimethylphenyl)-(5-nitrofuran-2-yl)methanamine
CID 43384480
(2,5-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine
CID 43384513
2,3-dihydro-1,4-benzodioxin-6-yl-(5-nitrofuran-2-yl)methanamine
CID 43463989
(5-nitrofuran-2-yl)-phenylmethanamine
CID 43463910
(2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine
CID 43464794
1-(3,4-dichlorophenyl)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 43767841
2-[chloro-(4-propan-2-ylphenyl)methyl]-5-nitrofuran
CID 61084466
(R)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methanamine
CID 118021321
2-[bromo-(2-chloro-4,5-dimethylphenyl)methyl]-5-nitrofuran
CID 115484840
(1S)-1-(5-nitrofuran-2-yl)butane-1,4-diamine;hydrochloride
CID 171217848
(1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine
CID 171313434
2-[bromo-(2-chloro-4-methoxyphenyl)methyl]-5-nitrofuran
CID 61098807

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine?
The IUPAC name of (3,4-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine (CID 43384511) is (3,4-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine?
The canonical SMILES for (3,4-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine is NC(c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (3,4-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine?
The InChIKey is OOTSYFMLGNXIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3/c12-7-2-1-6(5-8(7)13)11(14)9-3-4-10(18-9)15(16)17/h1-5,11H,14H2.
What are the key properties of (3,4-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine?
(3,4-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine has a molecular weight of 287.10 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine is sourced from PubChem (CID 43384511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).